Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- COc1ccc2c(O)nc(Cl)nc2c1C
- InChIKey
- ITVRAEZTYQSUIS-UHFFFAOYSA-N
- 分子式
- C10H9ClN2O2
- 平均分子量
- 224.64 g/mol
- 单同位素质量
- 224.0352552
COMPUTED
结构计算性质
- XLogP
- 2.1
- 极性表面积
- 50.7 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 15
- 形式电荷
- 0
- 复杂度
- 306
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看uspto-grants-2010_02 · 10.6084/m9.figshare.5104873.v1 · US07659245B2
查看uspto-grants-2010_02 · 10.6084/m9.figshare.5104873.v1 · US07659245B2
查看uspto-grants-2010_02 · 10.6084/m9.figshare.5104873.v1 · US07659245B2
查看Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D
查看